6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine

C62H52N2O2Si2 — CID 153440180

About 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine

6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine (PubChem CID 153440180) has the molecular formula C62H52N2O2Si2 and a molecular weight of 913.28 g/mol. Its IUPAC name is 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine.

Molecular Properties

• Compound Name: 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine
• PubChem CID: 153440180
• Molecular Formula: C62H52N2O2Si2
• Molecular Weight: 913.28 g/mol
• Exact Mass: 912.36
• IUPAC Name: 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2cc3c(c4c2oc2ccccc24)-c2ccc4c(c2[Si]3(C)C)[Si](C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3C)c3c(oc5ccccc53)c2-4)c(C)c1
• InChI: InChI=1S/C62H52N2O2Si2/c1-37-27-31-47(39(3)33-37)63(41-19-11-9-12-20-41)49-35-54-57(60-55(49)43-23-15-17-25-51(43)66-60)46-30-29-45-56-53(67(5,6)61(45)62(46)68(54,7)8)36-50(59-58(56)44-24-16-18-26-52(44)65-59)64(42-21-13-10-14-22-42)48-32-28-38(2)34-40(48)4/h9-36H,1-8H3
• InChIKey: MRGHVFDAVKRPRZ-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.28
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine?

The IUPAC name of 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine (CID 153440180) is 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine.

What is the SMILES notation for 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine?

The canonical SMILES for 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine is Cc1ccc(N(c2ccccc2)c2cc3c(c4c2oc2ccccc24)-c2ccc4c(c2[Si]3(C)C)[Si](C)(C)c2cc(N(c3ccccc3)c3ccc(C)cc3C)c3c(oc5ccccc53)c2-4)c(C)c1.

What is the InChIKey of 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine?

The InChIKey is MRGHVFDAVKRPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2O2Si2/c1-37-27-31-47(39(3)33-37)63(41-19-11-9-12-20-41)49-35-54-57(60-55(49)43-23-15-17-25-51(43)66-60)46-30-29-45-56-53(67(5,6)61(45)62(46)68(54,7)8)36-50(59-58(56)44-24-16-18-26-52(44)65-59)64(42-21-13-10-14-22-42)48-32-28-38(2)34-40(48)4/h9-36H,1-8H3.

What are the key properties of 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine?

6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine has a molecular weight of 913.28 g/mol, XLogP of 15.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,31-N-bis(2,4-dimethylphenyl)-3,3,34,34-tetramethyl-6-N,31-N-diphenyl-14,29-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene-6,31-diamine is sourced from PubChem (CID 153440180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).